SCHEMBL4466994

SCHEMBL4466994

CC1=Cc2c(-c3cccc4ccccc34)cccc2C1[Si](C)(C)Cl

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP3 O14638 1/20 0.36
ENPP1 P22413 1/20 0.36
DHFR P00374 1/20 0.35
ALOX15 P16050 4/20 0.35
MAPT P10636 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
ALDH1A1 P00352 5/20 0.34
KDM4E B2RXH2 4/20 0.34
HPGD P15428 3/20 0.34
L3MBTL1 Q9Y468 3/20 0.34
MAPK1 P28482 2/20 0.34
TDP2 O95551 1/20 0.34
ALOX12 P18054 1/20 0.34
CASP3 P42574 1/20 0.34
HTT P42858 1/20 0.34
GALK1 P51570 1/20 0.34
BLM P54132 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7053238 0.92 ENPP3 (0.36) ENPP3ENPP1DHFRALOX15MAPT
SCHEMBL7054875 0.89 ENPP3 (0.38) ENPP3ENPP1DHFRALOX15MAPT
SCHEMBL3149399 0.89 ENPP3 (0.38) ENPP3ENPP1DHFRALOX15MAPT
SCHEMBL7050672 0.87 ENPP3 (0.33) ENPP3ENPP1DHFRALOX15MAPT
Hydrochloric Acid SCHEMBL5167145 0.86 ENPP3 (0.36) ENPP3ENPP1DHFRALOX15MAPT
SCHEMBL1825938 0.85 CYP2A6 (0.36) MAPTRAB9AALDH1A1KDM4EHPGD
SCHEMBL7054159 0.85 KDM4E (0.33) ENPP3ENPP1DHFRALOX15MAPT
SCHEMBL5836057 0.84 ENPP3 (0.35) ENPP3ENPP1DHFRALOX15MAPT
SCHEMBL5697333 0.83 MAPT (0.38) ENPP3ENPP1DHFRALOX15MAPT
SCHEMBL5837687 0.82 KDM4E (0.35) ENPP3ENPP1DHFRALOX15MAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9790240-B2 Ligand compound, a preparation method thereof, a transition metal compound, and a preparation method thereof LG CHEM, LTD. (KR) 2017-10-17 US disclosed
EP-2918591-B1 NOVEL LIGAND COMPOUND, PREPARATION METHOD THEREFOR, TRANSITION METAL COMPOUND, AND PREPARATION METHOD THEREFOR LG CHEMICAL LTD (KR) 2017-09-13 EP disclosed
US-20160215004-A1 A NOVEL LIGAND COMPOUND, A PREPARATION METHOD THEREOF, A TRANSITION METAL COMPOUND, AND A PREPARATION METHOD THEREOF LG CHEM, LTD. (KR) 2016-07-28 US disclosed
EP-2918591-A1 NOVEL LIGAND COMPOUND, PREPARATION METHOD THEREFOR, TRANSITION METAL COMPOUND, AND PREPARATION METHOD THEREFOR LG Chem, Ltd. (KR) 2015-09-16 EP disclosed
EP-1548023-B1 Transition metal compound, catalyst system and the use of the latter for the polymerisation and copolymerisation of olefins BASELL POLYOLEFINE GMBH (DE) 2013-08-14 EP disclosed
US-7569651-B2 Transition metal compound, ligand system, catalyst system and its use for the polymerization and copolymerization of olefins BASELL POLYPROPYLEN GMBH (DE) 2009-08-04 US disclosed
US-7342078-B2 Transition metal compound, ligand system, catalyst system and the use of the latter for polymerisation and copolymerisation of olefins BASELL POLYOLEFINE GMBH (DE) 2008-03-11 US disclosed
US-7241903-B2 Metallocenes, use in catalyst system for producing olefin polymers BASELL POLYOLEFINE GMBH (DE) 2007-07-10 US disclosed
US-7241903-B2 Metallocenes, use in catalyst system for producing olefin polymers BASELL POLYOLEFINE GMBH (DE) 2007-07-10 US disclosed
EP-1397371-B1 METALLOCENES AND THEIR USE IN CATALYST SYSTEMS FOR PRODUCING OLEFIN POLYMERS BASELL POLYOLEFINE GMBH (DE) 2006-03-22 EP disclosed
US-20030149199-A1 Transition metal compound, ligand system, catalyst system and the use of the latter for polymerisation and copolymerisation of olefins BASELL POLYPROPYLEN GMBH (DE) 2003-08-07 US disclosed
EP-0985674-B1 ORGANIC COMPOUNDS CONTAINING SILICON OR GERMANIUM, TRANSITION METAL COMPLEXES, CATALYST FOR ALPHA-OLEFIN POLYMERIZATION, AND PROCESSES FOR PRODUCING ALPHA-OLEFIN POLYMERS MITSUBISHI CHEM CORP (JP) 2003-04-23 EP disclosed
WO-2003000706-A1 METALLOCENES, USE IN CATALYST SYSTEMS FOR PRODUCING OLEFIN POLYMERS BASELL POLYOLEFINE GMBH (DE) 2003-01-03 WO disclosed
EP-1250365-A2 TRANSITION METAL COMPOUND, LIGAND SYSTEM, CATALYST SYSTEM AND THE USE OF THE LATTER FOR THE POLYMERISATION AND COPOLYMERISATION OF OLEFINS Basell Polypropylen GmbH (DE) 2002-10-23 EP disclosed
EP-0834519-B1 CATALYST FOR POLYOLEFIN PRODUCTION AND PROCESS FOR PRODUCING POLYOLEFIN JAPAN POLYOLEFINS CO LTD (JP) 2002-03-06 EP disclosed
WO-2001048034-A2 TRANSITION METAL COMPOUND, LIGAND SYSTEM, CATALYST SYSTEM AND THE USE OF THE LATTER FOR THE POLYMERISATION AND COPOLYMERISATION OF OLEFINS BASELL POLYOLEFINE GMBH (DE) 2001-07-05 WO disclosed
US-6255515-B1 COORDINATION POLYMERIZATION CATALYSTS MITSUBISHI CHEMICAL CORPORATION (JP) 2001-07-03 US disclosed
US-6121182-A A METALLOCENE CATALYST FOR POLYMERIZATION OF ISOTACTIC POLYOLEFINS WITH HIGH RIGIDITY AND HIGH MELTING POINT, USEFUL AS INDUSTRIAL MATERIAL FOR AUTOMOBILES JAPAN POLYOLAFINS CO., LTD. (JP) 2000-09-19 US disclosed
EP-0985674-A1 ORGANIC COMPOUNDS CONTAINING SILICON OR GERMANIUM, TRANSITION METAL COMPLEXES, CATALYST FOR $g(a)-OLEFIN POLYMERIZATION, AND PROCESSES FOR PRODUCING $g(a)-OLEFIN POLYMERS MITSUBISHI CHEMICAL CORPORATION (JP) 2000-03-15 EP disclosed
EP-0834519-A1 CATALYST FOR POLYOLEFIN PRODUCTION AND PROCESS FOR PRODUCING POLYOLEFIN Japan Polyolefins Co., Ltd. (JP) 1998-04-08 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20160215004-A1 A NOVEL LIGAND COMPOUND, A PREPARATION METHOD THEREOF, A TRANSITION METAL COMPOUND, AND A PREPARATION METHOD THEREOF CD40LG, OSTC, TNFSF10 ENPP3 2554/4885ENPP1 2648/4885DHFR 1831/4885
US-20030149199-A1 Transition metal compound, ligand system, catalyst system and the use of the latter for polymerisation and copolymerisation of olefins PORCN, PGR, PPOX ENPP3 877/4885ENPP1 1382/4885DHFR 3454/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.